6-(furan-2-yl)pyridine-2-carbaldehyde

• ChemBase ID: 811461
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: n1c(cccc1c1occc1)C=O
• Canonical SMILES: O=Cc1cccc(n1)c1ccco1
• InChI: InChI=1S/C10H7NO2/c12-7-8-3-1-4-9(11-8)10-5-2-6-13-10/h1-7H
• InChIKey: NGPNULCLKRZORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(furan-2-yl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(furan-2-yl)pyridine-2-carbaldehyde
• Synonyms: 6-(FURAN-2-YL)PYRIDINE-2-CARBALDEHYDE

Database IDs

• CAS Number: 208110-88-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2359288
• LogD (pH = 7.4): 2.235941
• Log P: 2.2359412
• Molar Refractivity: 47.255 cm^3
• Polarizability: 19.155996 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%